4-플루오로-2-메톡시페닐보론산

(4-Fluoro-2-methoxyphenyl)boronic acid

HCID 2782672

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 179899-07-1
표준 SMILES: COc1cc(F)ccc1B(O)O
InChIKey: ADJBXDCXYMCCAD-UHFFFAOYSA-N
분자식: C7H8BFO3
평균 분자량: 169.95 g/mol
단동위원소 질량: 170.05505274

이름 및 식별자

우선 이름: (4-Fluoro-2-methoxyphenyl)boronic acid
IUPAC: (4-fluoro-2-methoxyphenyl)boronic acid
현지명: 4-플루오로-2-메톡시페닐보론산
영어명: 4-Fluoro-2-methoxyphenylboronic acid
분자식: C7H8BFO3
분자량: 169.95

이름 및 동의어

(4-fluoro-2-methoxyphenyl)boronic acidRefChem:402813690-489-24-Fluoro-2-methoxyphenylboronic acid179899-07-12-Methoxy-4-fluorophenylboronic acid4-FLUORO-2-METHOXYBENZENEBORONIC ACIDMFCD03788423Boronic acid, B-(4-fluoro-2-methoxyphenyl)-Boronic acid, (4-fluoro-2-methoxyphenyl)-4-fluoro-2-methoxyphenyl boronic acidB-(4-Fluoro-2-methoxyphenyl)boronic acid

이름 더 보기

4-플루오로-2-메톡시페닐보론산AKOS BRN-02345-Fluoroanisole-2-boronic acid4-Fluoro-2-Methoxyphenylboroni4-FLUORO-2-FORMYLPHENYLBORONIC ACID4-fluoro-2-methoxyphenylboronic acid 98%BORONIC ACID,B-(4-FLUORO-2-METHOXYPHENYL)-

YX7R999XR8(4-fluoro-2-methoxy-phenyl)boronic Acid4-Fluoro-2-Methoxyphenyl-Boronic Acid4-Fluoro-2-methoxy phenyl boronic acidUNII-YX7R999XR8SCHEMBL520857SCHEMBL29550601DTXSID10382203

데이터베이스 식별자

CAS: 179899-07-1
PubChem CID: 2782672
DTXSID: DTXSID10382203
UNII: YX7R999XR8
EC Number: 690-489-2
Nikkaji: J3.445.366G

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 131 · 131-136 °C (lit.)
끓는 점: 294.8 · 294.8±50.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.69 · 8.69±0.58(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C7H8BFO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChIKey: ADJBXDCXYMCCAD-UHFFFAOYSA-N
SMILES: B(C1=CC=C(F)C=C1OC)(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36-60-37
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 2건

용도suzuki reaction

용도Reactant involved in:Suzuki-Miyaura cross-coupling reactions for synthesis of heterobiarylsSuzuki and Still coupling for synthesis of antithrombotic drugsReactant / precursor used for the synthesis of biologically active molecules including:2-(4-pyridyl)thienopyridinones for use as GSK-3β inhibitorsArylheteroarylmethylamines as NR2B subtype of NMDA receptor antagonists with antidepressant activityBiphenylketones for use as dual modulators of inflammation and bone lossCB1 antagonists